A DFT study on the adsorption of SO2 on Al x -C2N (x = 1, 2) monolayer

Computational Evaluation of Electrocatalytic Nitrogen Reduction on TM Single-, Double-, and Triple-Atom Catalysts (TM = Mn, Fe, Co, Ni) Based on Graphdiyne Monolayers

(2019) Dongwei Ma et al.   Journal of Physical Chemistry C

C2N monolayer as NH3 and NO sensors: A DFT study

(2019) Yongliang Yong et al.   APPLIED SURFACE SCIENCE

Adsorption mechanism of hydrogen sulfide and sulfur dioxide on Au-MoS2 monolayer

(2019) Yingang Gui et al.   SUPERLATTICES AND MICROSTRUCTURES

Transition metal embedded C2N with efficient polysulfide immobilization and catalytic oxidation for advanced lithium-sulfur batteries: A first principles study

(2019) He Lin et al.   CERAMICS INTERNATIONAL

Adsorption mechanisms of different volatile organic compounds onto pristine C 2 N and Al-doped C 2 N monolayer: A DFT investigation

(2018) Yuetan Su et al.   APPLIED SURFACE SCIENCE

High capacity and reversible hydrogen storage on two dimensional C 2 N monolayer membrane

(2018) Gangqiang Qin et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Reactive Adsorption of Humid SO2 on Metal–Organic Framework Nanosheets

(2018) Alexander C. Elder et al.   Journal of Physical Chemistry C

Controlled Pore Sizes in Monolayer C2N Act as Ultrasensitive Probes for Detection of Gaseous Pollutants (HF, HCN, and H2S)

(2018) Kalishankar Bhattacharyya et al.   Journal of Physical Chemistry C

C 3 N monolayers as promising candidates for NO 2 sensors

(2018) Dongwei Ma et al.   SENSORS AND ACTUATORS B-CHEMICAL

Selective hydrogenation of 1,3-butadiene catalyzed by a single Pd atom anchored on graphene: the importance of dynamics

(2018) Yingxin Feng et al.   Chemical Science

Fe@C 2 N: A highly-efficient indirect-contact oxygen reduction catalyst

(2018) Javeed Mahmood et al.   Nano Energy

A DFT Study on the Adsorption of H2S and SO2 on Ni Doped MoS2 Monolayer

(2018) Huangli Wei et al.   Nanomaterials

Adsorption for SO2 gas molecules on B, N, P and Al doped MoS2: The DFT study

(2018) Ruiyang Zhang et al.   CHEMICAL PHYSICS LETTERS

H2S and SO2 adsorption on Pt-MoS2 adsorbent for partial discharge elimination: A DFT study

(2018) Hai Qian et al.   Results in Physics

Ni anchored C2N monolayers as low-cost and efficient catalysts for hydrogen production from formic acid

(2018) Qiming Bing et al.   JOURNAL OF POWER SOURCES

Pristine and Cu decorated hexagonal InN monolayer, a promising candidate to detect and scavenge SF6 decompositions based on first-principle study

(2018) Dachang Chen et al.   JOURNAL OF HAZARDOUS MATERIALS

Efficient absorption of SO2 with low-partial pressures by environmentally benign functional deep eutectic solvents

(2017) Kai Zhang et al.   JOURNAL OF HAZARDOUS MATERIALS

Ultra-high capacity hydrogen storage in a Li decorated two-dimensional C2N layer

(2017) Arqum Hashmi et al.   Journal of Materials Chemistry A

The adsorption of CO and NO on the MoS 2 monolayer doped with Au, Pt, Pd, or Ni: A first-principles study

(2016) Dongwei Ma et al.   APPLIED SURFACE SCIENCE

Formaldehyde molecule adsorption on the doped monolayer MoS 2 : A first-principles study

(2016) Dongwei Ma et al.   APPLIED SURFACE SCIENCE

Modulating electronic, magnetic and chemical properties of MoS 2 monolayer sheets by substitutional doping with transition metals

(2016) Dongwei Ma et al.   APPLIED SURFACE SCIENCE

3 d transition metal embedded C 2 N monolayers as promising single-atom catalysts: A first-principles study

(2016) D.W. Ma et al.   CARBON

Adsorption of NO2, NH3 on monolayer MoS2 doped with Al, Si, and P: A first-principles study

(2016) Hao Luo et al.   CHEMICAL PHYSICS LETTERS

A DFT study on SO 3 capture and activation over Si- or Al-doped graphene

(2016) Mehdi D. Esrafili et al.   CHEMICAL PHYSICS LETTERS

Design of Efficient Catalysts with Double Transition Metal Atoms on C2N Layer

(2016) Xiyu Li et al.   Journal of Physical Chemistry Letters

First-principles DFT study of SO2and SO3adsorption on 2PANI: a model for polyaniline response

(2016) Ali Shokuhi Rad et al.   Journal of Sulfur Chemistry

Iron-embedded C2N monolayer: a promising low-cost and high-activity single-atom catalyst for CO oxidation

(2016) B. L. He et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Carrier-tunable magnetism in two dimensional graphene-like C2N

(2016) Zhaohuan Liang et al.   RSC Advances

Adsorption of CO molecules on doped graphene: A first-principles study

(2016) Weidong Wang et al.   AIP Advances

First principles study of Al-doped graphene as nanostructure adsorbent for NO 2 and N 2 O: DFT calculations

(2015) Ali Shokuhi Rad   APPLIED SURFACE SCIENCE

Adsorption behavior of Co anchored on graphene sheets toward NO, SO2, NH3, CO and HCN molecules

(2015) Yanan Tang et al.   APPLIED SURFACE SCIENCE

Cobalt Oxide Encapsulated in C2N-h2D Network Polymer as a Catalyst for Hydrogen Evolution

(2015) Javeed Mahmood et al.   CHEMISTRY OF MATERIALS

Two-dimensional graphene-like C2N: an experimentally available porous membrane for hydrogen purification

(2015) B. Xu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Density functional study of Al-doped graphene nanostructure towards adsorption of CO, CO2 and H2O

(2015) Ali Shokuhi Rad et al.   SYNTHETIC METALS

C2N: an excellent two-dimensional monolayer membrane for He separation

(2015) Lei Zhu et al.   Journal of Materials Chemistry A

Efficient and reversible capture of SO2 by pyridinium-based ionic liquids

(2014) Shaojuan Zeng et al.   CHEMICAL ENGINEERING JOURNAL

Adsorption of cyanogen chloride over Al- and Ga-doped BN nanotubes

(2014) Alireza Soltani et al.   SUPERLATTICES AND MICROSTRUCTURES

A large gap opening of graphene induced by the adsorption of CO on the Al-doped site

(2013) Ali Ahmadi Peyghan et al.   JOURNAL OF MOLECULAR MODELING

Al-doped graphene-like BN nanosheet as a sensor for para-nitrophenol: DFT study

(2013) Ali Ahmadi Peyghan et al.   SUPERLATTICES AND MICROSTRUCTURES

Enhanced role of Al or Ga-doped graphene on the adsorption and dissociation of N2O under electric field

(2011) Yong-an Lv et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Adsorption of formaldehyde molecule on the intrinsic and Al-doped graphene: A first principle study

(2009) Mei Chi et al.   COMPUTATIONAL MATERIALS SCIENCE

Projections of Global Mercury Emissions in 2050

(2009) David G. Streets et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Correlation of the applied electrical field and CO adsorption/desorption behavior on Al-doped graphene

(2009) Z.M. Ao et al.   SOLID STATE COMMUNICATIONS

Human health effects of air pollution

(2007) Marilena Kampa et al.   ENVIRONMENTAL POLLUTION